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High-Performance Circular Polarization Multiple-Resonance TADF Molecules with Enhanced Long-Range Charge Transfer Based on Chiral Paracyclophane J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-27 Ping Li, Wenjing Li, Xianjie Wang, Peng Zhang, Qixin Lv, Chengxi Sun, Chao Yin, Runfeng Chen
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Vapor-Assisted In Situ Synthesis of the Nb2CTxNS/NbO2F MXene Heterostructure for Enhanced Solar-Driven Photoelectrochemical Performance J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-27 Ying-Chih Pu, Yi-Chen Yu, Jen-An Shih, Yi-Li Chen, I-Wen Peter Chen
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Unraveling the C–C Coupling Mechanism on Dual-Atom Catalysts for CO2/CO Reduction Reaction: The Critical Role of CO Hydrogenation J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-27 Minghao He, Chong-Hui Jiang, Hui-Min Yan, Guofeng Wang, Yang-Gang Wang
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GC-DFT-Based Dynamic Product Distribution Reveals Enhanced CO2-to-Methanol Electrocatalysis Durability by Heterogeneous CoPc J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-26 Zhiyuan Xu, Chao Ma, Beibei Tang, Jieyang Dong, Qi Zhang
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Toward Collective Chemistry under Strong Light-Matter Coupling J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-26 Bing Gu
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Investigation of Transient Temperature Rising of Light-Harvesting Complex II by Nonradiative Heat Dissipation at the Protein Level J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-26 Meixia Ruan, Yanjun Xu, Guohong Liao, Zhuan Wang, Hailong Chen, Yuxiang Weng
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Stacking Configurations of Triangular Au3 and Tetrahedral Au4 Units in Thiolate-Protected Gold Nanoclusters: Insights into Structural Stability and Growth Mechanisms J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-25 Wei Ye, Yanshuang Li, Wenhui Zhao, Endong Wang, Hongxing He, Wen Wu Xu
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Defect Crystal Formation and Thermal-Induced Structural Ordering of Semicrystalline Copolymers Induced by Comonomer Inclusion/Exclusion J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-25 Chengtao Yu, Chang Zeng, Mengzhe Han, Junfeng Liu, Ronghua Zhu, Lunhe Wang, Guorong Shan, Yongzhong Bao, Ying Zheng, Pengju Pan
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Metal-Core-Specific Screening with Machine Learning: Accelerating the Discovery of Metal Oxide Clusters for Enhanced EUV Lithography Resolution J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Fang-Ling Yang, Zong-Biao Ye, Yu-Qi Chen, Pan-Pan Zhou, Fu-Jun Gou
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The Melamine-Driven Solvation Effect Promotes Oxygen Reduction on a Platinum Catalyst: Machine Learning-Aided Free Energy Calculations J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Ryosuke Jinnouchi, Saori Minami
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RED-E-Function-Based Equilibrium Parameter Finder: Finding the Best Restraint Parameters in Absolute Binding Free Energy Calculations J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Wanyi Huang, Runduo Liu, Yufen Yao, Yijun Lai, Hai-Bin Luo, Zhe Li
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Deposition of Water Vapor on Au(001) Substrates: Effect of Temperature and Deposition Frequency J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Yifan Li, Haishan Cao
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Nonvolatile Ferroic and Topological Phase Control under Nonresonant Light J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Jian Zhou, Hanli Cui
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Surface Hydration and Antifouling Activity of Coatings of Polymers and Their Zwitterionic Derivatives Prepared Using Initiated Chemical Vapor Deposition (iCVD) J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-24 Guangyao Wu, Pengyu Chen, Rong Yang, Zhan Chen
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Exciton-Polaron in a Quasi-One-Dimensional Chain of Hexyl-Diammonium-BiI5 Octahedra J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-23 Dipin K. Tomar, Swapnil Deshpande, Shubham Gupta, Amogh K. Ravi, Sudip Chakraborty, Pabitra K Nayak, Jyotishman Dasgupta
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Schottky Defects Suppress Nonradiative Recombination in CH3NH3PbI3 through Charge Localization J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-23 Lu Qiao, Andrey S. Vasenko, Evgueni V. Chulkov, Run Long
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Methylammonium Lead Iodide across Physical Space: Phase Boundaries and Structural Collapse J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-23 Pelayo Marin-Villa, Mattia Gaboardi, Boby Joseph, Frederico Alabarse, Jeff Armstrong, Kacper Drużbicki, Felix Fernandez-Alonso
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Impact of Potassium Doping on a Two-Dimensional Kagome Organic Framework on Ag(111) J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-23 Xingyue Wang, Tianchen Qin, Tian Ma, Sifan You, Jia Wang, Lei Hu, Baiyao Liang, Jun Hu, Dezhou Guo, Minghu Pan, Junfa Zhu, Lifeng Chi
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PbS Quantum Dot-Based Optoelectronic Memristors toward Multi-Task Reservoir Computing J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-23 Jiasong Lin, Zhen Wang, Qinghong Lin, Jiayu Sun, Xuan Guo, Yue Wang, Liangxu Lin, Yi Zhao, Yang Liu, Deli Li, Fushan Li
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Cryogenic Rearrangements of Spiroheptadiyl: Light- or Heavy-Atom Quantum Tunneling? J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-22 Yuval Avivi, Juan Julian Santoyo-Flores, Tim Schleif, Sebastian Kozuch
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Native Defect-Dependent Ultrafast Carrier Dynamics in p-Type Dopable Wide-Bandgap NiO J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-22 Zhan Hua Li, Jia Xing He, Jia Yu Li, Ke Xu, Xiao Hu Lv, Ming-de Li, Chao Ping Liu, Kin Man Yu, Jian Dong Ye
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Compositionally Tunable Magneto-optical Properties of Lead-Free Halide Perovskite Nanocrystals J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-22 Lin Feng, I-Hsuan Yeh, Pavle V. Radovanovic
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Optimizing Formation Energy Barrier of NiCo-LDH Cocatalyst to Enhance Photoelectrochemical Benzyl Alcohol Oxidation J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-21 Bin Gao, Xiaowei Mu, Jianming Liu, Jianyong Feng, Huiting Huang, Zhigang Zou, Zhaosheng Li
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Machine Learning Mapping Approach for Computing Spin Relaxation Dynamics J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-21 Mohammad Shakiba, Adam B. Philips, Jochen Autschbach, Alexey V. Akimov
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Aggregation-Induced Emission Carbon Dot-Based Multicolor Circularly Polarized Afterglow with a High Luminescence Dissymmetry Factor J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Rui Guo, Zijun Ling, Boyan Zheng, Xiaofeng Sun, Zaiwu Yuan, Hongguang Li
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Exploring the Conductive Dynamics of Sb2(S,Se)3-Based Memristors for Non-Volatile Memory and Neuromorphic Applications J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Yuanjie Yang, Yuanhui Yang, Lei Zheng, Yuchan Wang, Fang Wang, Xiaolei Li, Liangliang Feng, Hongling Guo, Shifu Xiong, Kailiang Zhang
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Quantum Tunneling: History and Mystery of Large Amplitude Motions over a Century J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Ha Vinh Lam Nguyen
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Stabilizing Diketopyrrolopyrrole Radical Cations Through Carbazoles: Substitution Pattern vs Spin Delocalization J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Sanchari Debnath, Jungjin Park, Vithobha Hugar, Ram Kumar Canjeevaram Balasubramanyam, Juwon Oh, Woojae Kim, Satish Patil
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Machine Learning Prediction of the Corrosion Rate of Zinc-Based Alloys Containing Copper, Lithium, Magnesium, and Silver J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Artur Davletshin, Elena A. Korznikova, Andrey A. Kistanov
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Light Harvesting Complex II Resists Non-bilayer Lipid-Induced Polymorphism in Plant Thylakoid Membranes via Lipid Redistribution J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Avinash Garg, Ananya Debnath
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Correction to “Spectral Map: Embedding Slow Kinetics in Collective Variables” J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Jakub Rydzewski
In the original published article, the kernel density estimate below eq 3 was published as ϱ(xk) = ∑lκ(zk, zl). This equation should read instead ϱ(zk) = ∑lg(zk, zl). The typographical error does not change the results published in the article. This article has not yet been cited by other publications.
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Single-Atom Catalysts: Are You Really Single? J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Ana S. Dobrota, Igor A. Pašti
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Multiconfigurational Electronic Structure of Nickel Cross-Coupling Catalysts Revealed by X-ray Absorption Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Kacie J. Nelson, Nathanael P. Kazmierczak, David A. Cagan, Alec H. Follmer, Thais R. Scott, Sumana L. Raj, Douglas Garratt, Natalia Powers-Riggs, Kelly J. Gaffney, Ryan G. Hadt, Amy A. Cordones
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Kinetics of Volatile and Nonvolatile Halide Perovskite Devices: The Conductance-Activated Quasi-Linear Memristor (CALM) Model J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Agustín Bou, Cedric Gonzales, Pablo P. Boix, Yana Vaynzof, Antonio Guerrero, Juan Bisquert
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The Synergy Effect of Al/Ti Electrodes on Effective Electron Injection for n-Channel Transistors and Ambipolar Complementary Circuits J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Quanhua Chen, Lijian Chen, Hong Zhu, Walid Boukhili, Guangan Yang, Xiang Wan, Zhihao Yu, Chee Leong Tan, Huabin Sun, Dongyoon Khim, Yong Xu
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Bending Moiré in Twisted Bilayer Graphene J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 ZiBo Zhu, Yuan Hou, HengAn Wu, YinBo Zhu
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Rapid Analysis of DEER Signals Including Short Distances J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Aritro Sinha Roy, Tufa E. Assafa, Boris Dzikovski, Naman Joshi, Jack H. Freed
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Unveiling Active Al3+ Sites for Ethanol Dehydration on γ-Al2O3 with Solid-State Nuclear Magnetic Resonance Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Xue Zhou, Yueying Chu, Chao Wang, Qiang Wang, Min Hu, Jun Xu, Feng Deng
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Overcoming Inaccuracies in Machine Learning Interatomic Potential Implementation for Ionic Vacancy Simulations J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Pandu Wisesa, Wissam A. Saidi
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Unravelling the Effect of Oxygen on the Sintering Mechanism of Pt/CeO2 in the CO Oxidation Reaction J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Lei Zhang, Yiming Niu, Yinghui Pu, Yongzhao Wang, Shaoming Dong, Zhong-Wen Liu, Bingsen Zhang
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Ground States for Metals from Converged Coupled Cluster Calculations J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Tobias Schäfer
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Improving Nitric Oxide Reduction Reaction Activity of TMN4–C Model Catalysts by Axial Atom Coordination J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Yalei Sun, Baibiao Huang, Ying Dai, Wei Wei
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Second Hydration Shell of Mg2+: Competition between Ion–Water Interaction and Hydrogen Bonding Interaction J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Weiyu Li, Zhaoru Sun
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Reversibly Modulating the Selectivity of Carbon Dioxide Reduction via Ligand-Driven Spin Crossover J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Yuan Tang, Xiangyu Zhu, Qiquan Luo, Cen-Feng Fu, Xingxing Li
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Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Amke Nimmrich, Niranjan Govind, Munira Khalil
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G-Protein-Coupled Receptor Surface Creates a Favorable Pathway for Membrane Permeation of Drug Molecules J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Cristina Gil Herrero, Sebastian Thallmair
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Up-Conversion Photoluminescence Reconfiguration in Silicon by Inner Microstructure Control of Hybrid Plasmonic-Semiconductor Nanoparticles J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 A. O. Larin, S. Bruyere, A. Nomine, G. M. Maragkakis, S. Psilodimitrakopoulos, D. V. Permyakov, T. Belmonte, E. Stratakis, D.A. Zuev
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Computing Excited States of Very Large Systems with Range-Separated Hybrid Functionals and the Exact Integral Simplified Time-Dependent Density Functional Theory (XsTD-DFT) J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Marc de Wergifosse
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Postsynthetic Size Focusing via Digestive Ripening in HgTe Quantum Dots J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-17 Zhourui Hu, Yilu Qin, Jingjing Liu, Tianle Guo, Jianlu Wang
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Machine Learning Optimization of Non-Kasha Behavior and of Transient Dynamics in Model Retinal Isomerization J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Davinder Singh, Chern Chuang, Paul Brumer
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Bayesian Analysis Reveals the Key to Extracting Pair Potentials from Neutron Scattering Data J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Brennon L. Shanks, Harry W. Sullivan, Michael P. Hoepfner
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Optimizing Lasing Performance of CsPbBr3 Microplates by Regulating Exciton Recombination Dynamics with Pressure J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Xiuru Yao, Ruiyu Li, Zihan Zhang, Xinmiao Wei, Xinmiao Gai, Jinming Zhu, Hongyu Yu, Xin Wang, Yongjun Bao
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Learning Intermolecular Electronic Coupling with Molecular-Orbital-Based Descriptors J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Jingheng Deng, Jiayi Liang, Shuming Bai
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Enabling Ultrafast Intramolecular Singlet Fission in Perylene Diimide Tetramer with Saddle-Shaped Linker J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Guo Yu, Lisi Yang, Yixuan Gao, Zilong Guo, Yiran Tian, Yaxin Wang, Yan Wan, Yandong Han, Wensheng Yang, Jinsheng Song, Xiaonan Ma
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“Impossible Trinity” between Efficiency, Stability, and Color Purity for Blue OLEDs: Challenges and Opportunities J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Qing-Yu Meng, Xue-Liang Wen, Juan Qiao
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The Hot Phonon Bottleneck Effect in Metal Halide Perovskites J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 T. Faber, L. Filipovic, L.J.A. Koster
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Low-Dimensional Metal–Alkynyls: On-Surface Synthesis and Properties J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Ting Hu, Haoyang Deng, Qiwei Chen, Jing Liu, Kai Wu
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Bond Dissociation Energy of F2 with Spectroscopic Accuracy Measured Using Predissociation and Threshold Fragment Yield Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-16 Peng Wang, Shiyan Gong, Yuxiang Mo
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Complete and Efficient Covariants for Three-Dimensional Point Configurations with Application to Learning Molecular Quantum Properties J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-13 Hartmut Maennel, Oliver T. Unke, Klaus-Robert Müller
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Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-13 Connor L. Box, Nils Hertl, Wojciech G. Stark, Reinhard J. Maurer
更新日期：2024-12-20
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